HMDB0289080 RDKit 3D PC(DiMe(11,5)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 148148 0 0 0 0 0 0 0 0999 V2000 6.9254 6.5227 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 6.3000 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 6.4127 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3472 5.4528 -2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 4.1115 -1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6673 3.8499 -2.8699 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6870 4.8134 -2.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 2.4933 -2.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 2.4061 -1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 1.1559 -1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 1.1230 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 -0.1712 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 -0.3489 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 0.7598 0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 0.5784 1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 -0.6681 1.9971 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8441 -1.6318 1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -1.2061 3.3712 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3926 -0.2618 4.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -2.0322 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -2.5424 4.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 -3.3932 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 -2.7081 4.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -1.5750 3.8915 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 -3.3471 4.4592 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -2.7195 4.0304 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6336 -3.5779 2.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6816 -3.6985 1.9379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -4.3998 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8867 -4.9778 0.5306 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6641 -4.4198 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 -3.4853 -1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -3.5236 -2.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -2.6086 -3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -2.6676 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0927 -1.7508 -5.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -1.7372 -5.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 -1.2524 -4.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -1.1688 -5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -0.6523 -3.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8477 -0.5509 -4.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6572 -1.4191 -3.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9163 -1.1148 -3.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1147 -1.8468 -3.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7234 -1.2571 -1.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2029 0.1444 -1.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7723 0.4835 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6597 0.3422 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9462 0.0179 -4.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1066 0.7708 -4.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6132 0.3835 -4.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1879 1.5588 -5.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -2.3775 5.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 -1.5039 6.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 -1.0006 7.3017 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2144 -2.0338 8.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 -0.8629 6.8070 O 0 0 0 0 0 1 0 0 0 0 0 0 4.6883 0.4573 7.9384 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0463 1.2081 6.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5123 2.5016 7.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 3.3068 6.4933 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5330 3.7311 6.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5495 4.5114 6.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5855 2.5715 5.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3058 7.5575 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7019 5.7463 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4269 6.4424 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 7.1120 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4079 5.3213 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8289 7.4020 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 5.7340 -3.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5885 3.3411 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 4.0007 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0714 3.8595 -3.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 5.0421 -1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 1.5884 -3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 3.3155 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7546 0.2222 -1.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9244 2.0567 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 -1.0661 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -1.3497 0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6744 1.7645 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 1.5196 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9326 -0.3814 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -1.6589 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 -1.8851 3.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2146 -0.1432 4.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -2.8966 2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -1.5021 2.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -3.0957 5.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 -1.6362 5.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1966 -4.3111 4.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -3.8173 5.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -1.7462 3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4893 -2.9845 2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -4.5544 3.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 -5.4574 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -4.2517 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -3.8607 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -2.4811 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -3.3684 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -4.5614 -2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7602 -1.5966 -3.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 -2.9496 -4.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -3.7294 -4.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6216 -2.5719 -3.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 -2.1193 -5.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 -0.7190 -4.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -2.7043 -6.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 -0.9781 -6.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8903 -0.3008 -4.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -1.9882 -3.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -0.3899 -5.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1147 -2.1158 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 -1.3338 -3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 0.3376 -3.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9052 -1.9591 -3.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7651 -2.8710 -2.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0021 -1.3848 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5898 -1.9000 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0310 0.2408 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3833 0.8912 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6079 -0.1652 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1092 1.5363 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6840 -0.6829 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7671 1.0510 1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6528 0.5487 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2904 1.7128 -4.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9744 1.0230 -6.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0361 0.1793 -4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5937 1.2708 -6.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0819 2.0741 -5.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6381 2.2980 -4.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 -1.8134 4.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4206 -3.2558 5.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 1.3922 6.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 0.5453 6.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 3.0698 7.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8446 2.3733 8.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 2.9077 6.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 4.6653 6.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 3.8975 8.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8791 5.0334 5.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 5.2332 6.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 4.3061 5.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5023 2.1559 4.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 1.8356 5.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 3.3375 4.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 43 49 2 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 1 0 61 64 1 0 51 41 2 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 6 7 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 0 16 84 1 1 17 85 1 0 18 86 1 1 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 26 94 1 6 27 95 1 0 27 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 48127 1 0 50128 1 0 50129 1 0 50130 1 0 52131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 62140 1 0 62141 1 0 62142 1 0 63143 1 0 63144 1 0 63145 1 0 64146 1 0 64147 1 0 64148 1 0 M CHG 2 57 -1 61 1 M END